methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate

C19H24N2O3S — CID 86867474

IUPACmethyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1sc(-c2ccc(C)cc2C)nc1C
InChIInChI=1S/C19H24N2O3S/c1-11-7-8-15(12(2)9-11)17-20-14(4)16(25-17)18(22)21(5)10-13(3)19(23)24-6/h7-9,13H,10H2,1-6H3
InChIKeyQRNFEQANWDSTAZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.62
Rot. Bonds5

About methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate (PubChem CID 86867474) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
PubChem CID86867474
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Namemethyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1sc(-c2ccc(C)cc2C)nc1C
InChIInChI=1S/C19H24N2O3S/c1-11-7-8-15(12(2)9-11)17-20-14(4)16(25-17)18(22)21(5)10-13(3)19(23)24-6/h7-9,13H,10H2,1-6H3
InChIKeyQRNFEQANWDSTAZ-UHFFFAOYSA-N
XLogP3.62
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 111447016
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 134058827
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51098576
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 114078260
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
CID 80641870
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540320
2-(2,4-dimethylphenyl)-4-methyl-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 52835430
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate (CID 86867474) is methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1sc(-c2ccc(C)cc2C)nc1C.
What is the InChIKey of methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate?
The InChIKey is QRNFEQANWDSTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-11-7-8-15(12(2)9-11)17-20-14(4)16(25-17)18(22)21(5)10-13(3)19(23)24-6/h7-9,13H,10H2,1-6H3.
What are the key properties of methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate has a molecular weight of 360.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 86867474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).